Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
file format
|
| gptkbp:associatedWith |
gptkb:INCAR
gptkb:POSCAR gptkb:POTCAR |
| gptkbp:contains |
k-point coordinates
k-point grid information weighting factors |
| gptkbp:fileExtension |
gptkb:KPOINTS
|
| gptkbp:format |
plain text
|
| https://www.w3.org/2000/01/rdf-schema#label |
KPOINTS
|
| gptkbp:provides |
gptkb:monkhorst-pack_grid
automatic mesh explicit k-points gamma-centered grid |
| gptkbp:purpose |
specifies k-point sampling in reciprocal space
|
| gptkbp:requires |
VASP calculation
|
| gptkbp:usedFor |
electronic structure calculations
|
| gptkbp:usedIn |
gptkb:VASP
computational physics materials science |
| gptkbp:bfsParent |
gptkb:VASP
|
| gptkbp:bfsLayer |
6
|